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189264-47-9 | 6(2H)-Benzofuranone, 3,3a,7,7a-tetrahydro-3a-hydroxy-, (3aR,7aR)-
CAS No: 189264-47-9 Catalog No: AG002I5S MDL No:MFCD20275213
Product Description
Catalog Number:
AG002I5S
Chemical Name:
6(2H)-Benzofuranone, 3,3a,7,7a-tetrahydro-3a-hydroxy-, (3aR,7aR)-
CAS Number:
189264-47-9
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD20275213
IUPAC Name:
(3aR,7aR)-3a-hydroxy-2,3,7,7a-tetrahydro-1-benzofuran-6-one
InChI:
InChI=1S/C8H10O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h1-2,7,10H,3-5H2/t7-,8+/m1/s1
InChI Key:
HSGPAWIMHOPPDA-SFYZADRCSA-N
SMILES:
O=C1C=C[C@]2([C@@H](C1)OCC2)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Enantioselective total synthesis of all of the known chiral cleroindicins (C-F): clarification among optical rotations and assignments. | The Journal of organic chemistry 20090605 |
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